2-[4-(3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-(3-phenyl-5-propyl-7-pyrazolo[1,5-a]pyrimidinyl)-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol Formula: C21H28N5O+ MolecularWeight: 366.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=NN2C(=C1)N3CC[NH+](CC3)CCO)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC2=C(C=NN2C(=C1)N3CC[NH+](CC3)CCO)C4=CC=CC=C4

InChI

InChI=1S/C21H27N5O/c1-2-6-18-15-20(25-11-9-24(10-12-25)13-14-27)26-21(23-18)19(16-22-26)17-7-4-3-5-8-17/h3-5,7-8,15-16,27H,2,6,9-14H2,1H3/p+1